N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: 3-isopentyloxy-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: 3-isoamoxy-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

InChI

InChI=1S/C22H27N3O3S/c1-15(2)11-12-28-19-6-4-5-17(14-19)21(27)25-22(29)24-18-9-7-16(8-10-18)13-20(26)23-3/h4-10,14-15H,11-13H2,1-3H3,(H,23,26)(H2,24,25,27,29)